In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 28 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.23 | 11.64 | -46.85 | 0 | 6 | -1 | 83 | 413.91 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 12.52 | -52.86 | 1 | 6 | 0 | 85 | 414.918 | 5 | ↓ |